SCHEMBL11267091

SCHEMBL11267091

CCOC(=O)CC1NCCc2c1[nH]c1ccc(F)cc21

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.74
HTR2A P28223 18/20 0.67
HTR2C P28335 17/20 0.67
MAPKAPK2 P49137 1/20 0.57
HTR2B P41595 4/20 0.52
HTR1A P08908 1/20 0.49
DRD4 P21917 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
HTR1E P28566 1/20 0.49
SLC6A4 P31645 1/20 0.49
HTR7 P34969 1/20 0.49
HTR5A P47898 1/20 0.49
HTR6 P50406 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11314589 0.89 KMT2A (0.77) KMT2AHTR2AHTR2CHTR2B
SCHEMBL11256819 0.87 KMT2A (0.74) KMT2AHTR2AHTR2CMAPKAPK2HTR2B
SCHEMBL11317821 0.87 KMT2A (0.71) KMT2AHTR2AHTR2C
SCHEMBL8321835 0.84 KMT2A (0.70) KMT2AHTR2AHTR2CMAPKAPK2HTR7
Hydrochloric Acid SCHEMBL11249624 0.84 KMT2A (0.72) KMT2AHTR2AHTR2CMAPKAPK2HTR7
SCHEMBL28652272 0.83 MAPKAPK2 (0.69) KMT2AHTR2AHTR2CMAPKAPK2HTR2B
SCHEMBL4105569 0.83 KMT2A (0.52) KMT2AHTR2AHTR2CMAPKAPK2HTR2B
SCHEMBL30923475 0.83 MAPKAPK2 (0.69) KMT2AHTR2AHTR2CMAPKAPK2HTR2B
SCHEMBL944770 0.78 HTR2A (0.68) KMT2AHTR2AHTR2CMAPKAPK2
Hydrochloric Acid SCHEMBL7683967 0.76 HTR2A (0.54) KMT2AHTR2AHTR2CMAPKAPK2HTR2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4336256-A TREATMENT OF ANOXIA, DEPRESSION AND IN PSYCHOTROPIC THERAPY SYNTHELABO (FR) 1982-06-22 US disclosed
US-4272539-A ANOXIA, ANTIDEPRESSANTS SYNTHELABO (FR) 1981-06-09 US disclosed